• BMB Reports
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• v.29 no.4
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• pp.286-293
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• 1996

Association of antigenic peptide with class I MHC is believed to be crucial for maintaining stable conformation of class I molecules. T2 cells that are defective in TAP gene function mainly express class I molecules with an unstable conformation due to little or no association with antigenic peptides, whereas T1 cells that are normal in TAP gene function mainly express the stable form of class I molecules. In this work, attempts were made to determine the molecular stability of stable and unstable class I molecules. Dissociation of HLA-A2 molecules on T1 and T2 cells was monitored by flow cytometry using anti-HLA-A2 antibody after the cells were treated with brefeldin A to shut down the transport of newly-assembled HLA-A2. Estimated dissociation rate constants for the stable and unstable forms of HLA-A2 were 0.076 $h^{-1}$ and 0.66 $h^{-1}$, respectively. It appeared that both T1 and T2 cells express stable and unstable class I complex, but with different ratios of the two forms. Furthermore, $interferon-{\gamma}$ treatment of T1 cells appeared to induce the expression of both the stable and unstable class I molecules. These results demonstrate that class I MHC molecules can be divided into two groups in terms of structural stability and that they exist on the cell surface in both forms in a certain ratio.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.901-905
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• 2012

In this study, we investigated the pure geometrical effect of porous materials in gas adsorption using the grand canonical Monte Carlo simulations of primitive gas-pore models with various pore geometries such as planar, cylindrical, and random pore geometries. Although the model does not possess atomistic level details of porous materials, our simulation results provided many insightful information in the effect of pore geometry on the adsorption behavior of gas molecules. First, the surface curvature of porous materials plays a significant role in the amount of adsorbed gas molecules: the concave surface such as in cylindrical pores induces more attraction between gas molecules and pore, which results in the enhanced gas adsorption. On the contrary, the convex surface of random pores gives the opposite effect. Second, this geometrical effect shows a nonmonotonic dependence on the gas-pore interaction strength and length. Third, as the external gas pressure is increased, the change in the gas adsorption due to pore geometry is reduced. Finally, the pore geometry also affects the collision dynamics of gas molecules. Since our model is based on primitive description of fluid molecules, our conclusion can be applied to any fluidic systems including reactant-electrode systems.

• Bulletin of the Korean Chemical Society
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• v.34 no.4
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• pp.1043-1046
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• 2013

Prediction of physicochemical properties of organic molecules is an important process in chemistry and chemical engineering. The MSEP approach developed in our lab calculates the molecular surface electrostatic potential (ESP) on van der Waals (vdW) surfaces of molecules. This approach includes geometry optimization and frequency calculation using hybrid density functional theory, B3LYP, at the 6-31G(d) basis set to find minima on the potential energy surface, and is known to give satisfactory QSPR results for various properties of organic molecules. However, this MSEP method is not applicable to screen large database because geometry optimization and frequency calculation require considerable computing time. To develop a fast but yet reliable approach, we have re-examined our previous work on organic molecules using two semi-empirical methods, AM1 and PM3. This new approach can be an efficient protocol in designing new molecules with improved properties.

• Proceedings of the KSME Conference
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• 2007.05b
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• pp.2702-2707
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• 2007

The purpose of this study is to calculate the behavior of molecules for the generation of homogeneous thin-films in the process of spray deposition. The calculation system was composed of a suface molecular region and droplet molecular region. The thin-film was generated when droplet molecules fell to surface molecules. Lennard-Jones potential had been used as intermolecular potential, and only attraction 때 d repulsion had been used for the behavior of the droplet on the solid surface. As results, the behavior of the droplet was so much influenced by the surface temperature in the spray deposition process. High temperature of surface has higher porosity and larger spread area. It was found that simulation results generally agreed well with previous the experimental results. This simulation result will be the foundation for the deposition processes of industry.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.113.1-113.1
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• 2014

Surface-enhanced Raman scattering (SERS) has long been projected as a powerful analytical technique for chemical and biological sensing applications. Pairing with portable Raman spectrometers makes the technique extremely appealing as real-time sensors for field application. However, the lack of reliable, uniform, low cost and ease-of-use SERS enhancement structures has prevented the wide adoption of this technique for general applications. We have discovered a novel hybrid structure based on the high-density and uniform arrays of gold nanofingers over a large surface area for SERS applications. The nanofingers are flexible and their tips can be brought together to trap molecules to mimic the biological system. We report here a rapid, simple, low-cost, and sensitive method of detecting trace level of food contaminants by using nanofinger chips based on portable SERS technique. We also present here the characterization of surface reaction of target molecules with our gold nanofinger substrates and the effect of nanofinger closing towards SERS performance. This new type of nano-structures can potentially revolutionize the medical and biologic research by providing a novel way to capture, localize, manipulate, and interrogate biological molecules with unprecedented capabilities.

• Proceedings of the KIEE Conference
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• 1994.07b
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• pp.1320-1322
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• 1994

Photoisomerization characteristics of 4-octyl-4'-(5-carboxy-pentamethyleneoxy) azobenzene molecules (8A5H) were attained by measurement of absorbtion spectra. 8A5H in chroloform($6.0{\times}10^{-5}[M/l]$) shows trans to cis and cis to trans isomerization by irradiation of lights of 360[nm] and 450[nm] wavelength. From LB monolayer films of 8A5H, also the cis/trans photoisomerization was obtained and it has reversibility and memory characteristics. We are now trying to detect these properties of 8A5H electrically. On this paper, we investigated the structural changes of monolayer on the water surface by measuring the displacement current as a preliminary experiment. The measuring system was constructed at home-made Kuhn type LB(Langmuir-Blodgett) deposition apparatus. 8A5H solution was spreaded at the air-water interface and the currents induced by the dynamic behavior of molecules were measured when the molecules were pressed by barrier. The reversibility of displacement currents by compression and expansion was obtained from 8A5H molecules, which shows the compressed molecules have a tendency to disperse after the compression. From this experiment, we conclude that the behavior of molecules on water surface can be monitored electrically by using this current measuring method, and this method can also be applied to detect the photoisomerization of monolayers on water surface.

• Proceedings of the KIEE Conference
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• 2006.04b
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• pp.52-56
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• 2006

Some of factors affecting photo-conversion efficiency of dye sensitized solar cells (DSCs) are discussed in terms of $TiO_2$ electrodes. The first topic is on the surface modification of $TiO_2$ nano-particles, which is associated with electron traps on the surface of $TiO_2$ nano-particles. The surface is modified with dye molecules under pressurized $CO_2$ atmosphere to increase the surface coverage of $TiO_2$ nano-particles with dye molecules. This increases Jsc because of an increase in the amount of dye molecules and a decrease in the amount of trapping sites on $TiO_2$ nano-particles. In addition, the decrease in the amount of trap sites increases Voc because decreases in Voc are brought about by the recombination of $I_2$ molecules with electrons trapped on the $TiO_2$ surfaces. Selective staining for tandem cells is proposed. The second topic is on the contact between a $SnO_2$/F transparent conductive layer (TCL) and nano-particles. Polishing the TCL surfaces with silica nano-particles increases the contact, resulting in Jsc increases. The third topic is the fabrication of ion-paths in $TiO_2$ layers. Electro-spray coating of $TiO_2$ nano-particles onto TCL is shown to be effective for fabricating ion-paths in $TiO_2$ layers, which increases Jsc.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2219-2222
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• 2010

A density functional theory (DFT) study of $CO_2$ adsorption on barium oxide (BaO) adsorbents is conducted to understand the chemical activity of the oxygen site on the BaO (100) surface. This study evaluated the adsorption energies and geometries of a single $CO_2$ molecule and a pair of $CO_2$ molecules on the BaO (100) surface. A quantum calculation was performed to obtain information on the molecular structures and molecular reaction mechanisms; the results of the calculation indicated that $CO_2$ was adsorbed on BaO to form a stable surface carbonate with strong chemisorption. To study the interactive $CO_2$ adsorption on the BaO (100) surface, a pair of $CO_2$ molecules was bound to neighboring and distant oxygen sites. The interactive $CO_2$ adsorption on the BaO surface was found to slightly weaken the adsorption energy, owing to the interaction between $CO_2$ molecules.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.191.1-191.1
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• 2014

Crystallization has become the most popular technique for the separation of enantiomers since the Pasteur's discovery. To investigate mechanism of crystallization of chiral molecules, it is necessary to study self-assembled structures on two-dimensional surface. Here, we have studied two-dimensional self-assembled structures of an unnatural amino acid, (S)-${\beta}$-methyl naphthalen-1-${\gamma}$-aminobutyric acid (${\gamma}^2$-1-naphthylalanine) on Au(111) surface at 150 K using scanning tunneling microscopy (STM). At initial stage, we found two chiral honeycomb structures which are counter-clockwise and clockwise configurations in one domain. The molecules are arranged around molecular vacancies, dark hole. By further increasing the amounts of adsorbed ${\gamma}^2$-1-naphthylalanine, a well-ordered square packed structure was observed. In addition, we found the other structure that molecules were trapped in the pore of the hexagonal molecular assembly.

• Proceedings of the KIEE Conference
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• 1993.07b
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• pp.1200-1202
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• 1993

There are many methods to investigate the physical properties of monolayers formed at the air-water interface. Among them, the displacement current method is appropriate for the investigation of the dynamic behavior of monolayers. The measuring system of displacement current method was constructed at home-made Kuhn type LB deposition apparatus using aluminium plate electrode. The currents induced by the dynamic motion of molecules were measured when the molecules were pressed by barrier. To verify the measuring system, we used 4-octyl -4'-(5-carboxy-pentamethyleneoxy)-azobenzene molecules which has two remarkable variations of surface pressure of monolayer at the air-water interface. We can detect the two peaks of displacement currents which shows that the orientations of molecules are changed greatly at the state of these two remarkable changes of surface pressure.